SCHEMBL5021674

SCHEMBL5021674

C[C@H]1COc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.81
ALDH1A1 P00352 6/20 0.81
HPGD P15428 5/20 0.81
HSD17B10 Q99714 3/20 0.81
ALB P02768 1/20 0.81
HRH3 Q9Y5N1 1/20 0.81
AADAT Q8N5Z0 2/20 0.79
POLB P06746 2/20 0.79
TUBB4A P04350 2/20 0.79
TUBB P07437 2/20 0.79
TUBA3C P0DPH7 2/20 0.79
TUBA1B P68363 2/20 0.79
TUBA4A P68366 2/20 0.79
TUBB4B P68371 2/20 0.79
TUBB3 Q13509 2/20 0.79
TUBB2A Q13885 2/20 0.79
TUBB8 Q3ZCM7 2/20 0.79
TUBA3E Q6PEY2 2/20 0.79
TUBA1A Q71U36 2/20 0.79
TUBA1C Q9BQE3 2/20 0.79

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11195276 1.00 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10755857 0.94 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11076172 0.91 AADAT (0.81) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11198681 0.91 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL26197440 0.91 KDM4E (0.85) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL10406663 0.90 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL4545209 0.90 KDM4E (0.84) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11080941 0.90 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL11112635 0.90 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10ALB
Nadifloxacin SCHEMBL4650640 0.89 KDM4E (0.79) KDM4EALDH1A1HPGDHSD17B10ALB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345594-A1 SOLUBILIZED FLAVONOID COMPOSITION Vizuri Health Sciences LLC (US) 2018-07-11 EP disclosed
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2017-10-19 US disclosed
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2017-10-19 US disclosed
US-9730953-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compound VIZURI HEALTH SCIENCES LLC (US) 2017-08-15 US disclosed
US-9730953-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compound VIZURI HEALTH SCIENCES LLC (US) 2017-08-15 US disclosed
US-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND API GENESIS, LLC (US) 2014-07-17 US disclosed
US-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND API GENESIS, LLC (US) 2014-07-17 US disclosed
US-8637569-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compounds API GENESIS, LLC (US) 2014-01-28 US disclosed
US-8637569-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compounds API GENESIS, LLC (US) 2014-01-28 US disclosed
WO-2012054090-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUNDS API GENESIS, LLC (US) 2012-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS KDM4E 2079/4885ALDH1A1 1920/4885HPGD 244/4885
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS KDM4E 2079/4885ALDH1A1 1920/4885HPGD 244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.